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bk-DMBDB MS3_2
SpectraBase Compound ID DIo2UPoWNys
InChI InChI=1S/C14H12ClN2O/c1-17(10-18)14-8-7-11(15)9-13(14)16-12-5-3-2-4-6-12/h2-9,16H,1H3/q+1
InChIKey KLVOTKXNJPJCJI-UHFFFAOYSA-N
Mol Weight 259.72 g/mol
Molecular Formula C14H12ClN2O
Exact Mass 259.063816 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EfClmCQbDyL
Name Dibutylone MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00]
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InChI InChI=1S/C14H12ClN2O/c1-17(10-18)14-8-7-11(15)9-13(14)16-12-5-3-2-4-6-12/h2-9,16H,1H3/q+1
InChIKey KLVOTKXNJPJCJI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C=1C(N([C+]=O)C)=CC=C(C1)Cl)C=1C=CC=CC1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS